(phenylmethyl) 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(4-oxidanylideneazetidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(4-oxidanylideneazetidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: benzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(4-oxoazetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[oxo-(4-oxo-2-azetidinyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(4-oxoazetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(4-ketoazetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxylic acid benzyl ester Formula: C22H26N5O5+ MolecularWeight: 440.47234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C2CC(=O)N2)C(=O)C(CC3=CN=CN3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC([N+](C1)(C(=O)C2CC(=O)N2)C(=O)C(CC3=CN=CN3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O5/c23-16(9-15-11-24-13-25-15)20(29)27(21(30)17-10-19(28)26-17)8-4-7-18(27)22(31)32-12-14-5-2-1-3-6-14/h1-3,5-6,11,13,16-18H,4,7-10,12,23H2,(H-,24,25,26,28)/p+1